Sc2MnCo2B2Os3
Alexandria ALEXAlex-ID: agm010728126 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E3_0_spg55
Mn2B ScOs2 ScCo3B2 ScB2Os Os
2024-05-03 13:20:16.493597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010728126).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm010728126
data_agm010728126
_cell_length_a 2.99516
_cell_length_b 9.30722
_cell_length_c 9.03802
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 251.94966
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 0.00000 0.32199 0.32461 1.00000
Sc2 Sc 0.00000 0.67801 0.67539 1.00000
Sc3 Sc 0.00000 0.82199 0.17539 1.00000
Sc4 Sc 0.00000 0.17801 0.82461 1.00000
Mn1 Mn 0.00000 0.50000 0.00000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.50000 0.42908 0.78679 1.00000
Co2 Co 0.50000 0.57092 0.21321 1.00000
Co3 Co 0.50000 0.92908 0.71321 1.00000
Co4 Co 0.50000 0.07092 0.28679 1.00000
B1 B 0.00000 0.87955 0.86807 1.00000
B2 B 0.00000 0.12045 0.13193 1.00000
B3 B 0.00000 0.37955 0.63193 1.00000
B4 B 0.00000 0.62045 0.36807 1.00000
Os1 Os 0.50000 0.71279 0.92983 1.00000
Os2 Os 0.50000 0.28721 0.07017 1.00000
Os3 Os 0.50000 0.78721 0.42983 1.00000
Os4 Os 0.50000 0.21279 0.57017 1.00000
Os5 Os 0.50000 0.50000 0.50000 1.00000
Os6 Os 0.50000 0.00000 0.00000 1.00000
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